[(2S,5R)-5-(8-azanyl-2-chloranyl-purin-9-yl)-1,3-oxaselenolan-2-yl]methyl benzoate

Systemtic Name: [(2S,5R)-5-(8-azanyl-2-chloranyl-purin-9-yl)-1,3-oxaselenolan-2-yl]methyl benzoate Openeye Name: [(2S,5R)-5-(8-amino-2-chloro-purin-9-yl)-1,3-oxaselenolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,5R)-5-(8-amino-2-chloro-9-purinyl)-1,3-oxaselenolan-2-yl]methyl ester IUPAC Name: [(2S,5R)-5-(8-amino-2-chloropurin-9-yl)-1,3-oxaselenolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,5R)-5-(8-amino-2-chloro-purin-9-yl)-1,3-oxaselenolan-2-yl]methyl ester Formula: C16H14ClN5O3Se MolecularWeight: 438.72706

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC([Se]1)COC(=O)C2=CC=CC=C2)N3C4=NC(=NC=C4N=C3N)Cl

Isomeric SMILES

C1[C@@H](O[C@@H]([Se]1)COC(=O)C2=CC=CC=C2)N3C4=NC(=NC=C4N=C3N)Cl

InChI

InChI=1S/C16H14ClN5O3Se/c17-15-19-6-10-13(21-15)22(16(18)20-10)11-8-26-12(25-11)7-24-14(23)9-4-2-1-3-5-9/h1-6,11-12H,7-8H2,(H2,18,20)/t11-,12+/m1/s1